SCHEMBL8810439

SCHEMBL8810439

c1ccc(CNCc2cccc(-c3n[nH]cc3C(c3ccccc3)(c3ccccc3)c3ccccc3)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ROCK2 O75116 1/20 0.34
▸ METAP2 P50579 1/20 0.34
▸ KDM4C Q9H3R0 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ SLC2A4 P14672 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ TACR3 P29371 1/20 0.33
▸ CXCR2 P25025 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ PARP1 P09874 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8812099 0.93 SMN1; SMN2 (0.39) BCHEALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL8809141 0.82 PARP1 (0.43) ALDH1A1KDM4EMEN1KMT2APARP1
SCHEMBL8810148 0.79 BCHE (0.42) BCHEALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL8810661 0.77 TRIM24 (0.40) ALDH1A1KDM4EMEN1KMT2AMAPK1
SCHEMBL8808211 0.71 BCHE (0.42) BCHEALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL22000113 0.69 BCHE (0.55) BCHEALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL8811307 0.69 BCHE (0.45) BCHEALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL14562884 0.65 MEN1 (0.64) BCHEALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL8809897 0.65 BCHE (0.44) BCHEALDH1A1METAP2HIF1ASLC2A4
SCHEMBL8807533 0.64 CHEK1 (0.41) BCHEALDH1A1KDM4EHTTSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0784612-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-23 — — EP disclosed
WO-1996010559-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-11 — — WO disclosed
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